9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole

C51H30N4O2 — CID 167309895

IUPAC9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)oc2ccc(-c4cccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)c45)cc23)cc1
InChIInChI=1S/C51H30N4O2/c1-3-12-31(13-4-1)33-22-25-40-42-28-34(24-27-45(42)57-46(40)29-33)36-18-11-19-41-37-16-7-9-20-43(37)55(48(36)41)51-53-49(32-14-5-2-6-15-32)52-50(54-51)35-23-26-39-38-17-8-10-21-44(38)56-47(39)30-35/h1-30H
InChIKeyNTCTYOMNALOLPN-UHFFFAOYSA-N
MW730.83 g/mol
LogP13.44
Rot. Bonds5

About 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole

9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole (PubChem CID 167309895) has the molecular formula C51H30N4O2 and a molecular weight of 730.83 g/mol. Its IUPAC name is 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole.

Molecular Properties

Compound Name9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole
PubChem CID167309895
Molecular FormulaC51H30N4O2
Molecular Weight730.83 g/mol
Exact Mass730.24
IUPAC Name9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)oc2ccc(-c4cccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)c45)cc23)cc1
InChIInChI=1S/C51H30N4O2/c1-3-12-31(13-4-1)33-22-25-40-42-28-34(24-27-45(42)57-46(40)29-33)36-18-11-19-41-37-16-7-9-20-43(37)55(48(36)41)51-53-49(32-14-5-2-6-15-32)52-50(54-51)35-23-26-39-38-17-8-10-21-44(38)56-47(39)30-35/h1-30H
InChIKeyNTCTYOMNALOLPN-UHFFFAOYSA-N
XLogP13.44
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.83
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(8-phenyldibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309700
1-[7-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342651
9-[4-(7-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358257
9-[4-(6-dibenzofuran-3-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358310
11-phenyl-12-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169014275
9-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1-dibenzofuran-2-ylcarbazole
CID 139303631
1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 157480548
9-[4-(6-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(6-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 164978383
3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164954379
9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164821915
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,4-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165585
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[4-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165502

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole?
The IUPAC name of 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole (CID 167309895) is 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole.
What is the SMILES notation for 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole?
The canonical SMILES for 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole is c1ccc(-c2ccc3c(c2)oc2ccc(-c4cccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)c45)cc23)cc1.
What is the InChIKey of 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole?
The InChIKey is NTCTYOMNALOLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O2/c1-3-12-31(13-4-1)33-22-25-40-42-28-34(24-27-45(42)57-46(40)29-33)36-18-11-19-41-37-16-7-9-20-43(37)55(48(36)41)51-53-49(32-14-5-2-6-15-32)52-50(54-51)35-23-26-39-38-17-8-10-21-44(38)56-47(39)30-35/h1-30H.
What are the key properties of 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole?
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole has a molecular weight of 730.83 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole is sourced from PubChem (CID 167309895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).